N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide

C25H18F3N3O4S — CID 164613543

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCOc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C25H18F3N3O4S/c1-35-19-8-10-31-20(14-23(32)29-18-7-4-15-9-11-36(33,34)21(15)12-18)24(30-22(31)13-19)16-2-5-17(6-3-16)25(26,27)28/h2-13H,14H2,1H3,(H,29,32)
InChIKeyJLKAIMXDDXKSRV-UHFFFAOYSA-N
MW513.50 g/mol
LogP4.97
Rot. Bonds5

About N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 164613543) has the molecular formula C25H18F3N3O4S and a molecular weight of 513.50 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID164613543
Molecular FormulaC25H18F3N3O4S
Molecular Weight513.50 g/mol
Exact Mass513.10
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCOc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C25H18F3N3O4S/c1-35-19-8-10-31-20(14-23(32)29-18-7-4-15-9-11-36(33,34)21(15)12-18)24(30-22(31)13-19)16-2-5-17(6-3-16)25(26,27)28/h2-13H,14H2,1H3,(H,29,32)
InChIKeyJLKAIMXDDXKSRV-UHFFFAOYSA-N
XLogP4.97
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide (CID 164613543) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide is COc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is JLKAIMXDDXKSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O4S/c1-35-19-8-10-31-20(14-23(32)29-18-7-4-15-9-11-36(33,34)21(15)12-18)24(30-22(31)13-19)16-2-5-17(6-3-16)25(26,27)28/h2-13H,14H2,1H3,(H,29,32).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 513.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[7-methoxy-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 164613543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).